1-morpholin-4-ylcarbonyl-N-[(E)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

Systemtic Name: 1-morpholin-4-ylcarbonyl-N-[(E)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Openeye Name: N-[(E)-3-(benzenesulfonyl)-1-phenethyl-allyl]-1-(morpholine-4-carbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide CAS Name: N-[(E)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]-1-[4-morpholinyl(oxo)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide IUPAC Name: N-[(E)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]-1-(morpholine-4-carbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Traditional Name: N-[(E)-3-besyl-1-phenethyl-allyl]-1-(morpholine-4-carbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Formula: C32H35N3O5S MolecularWeight: 573.7024

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C2C3=CC=CC=C3CC(N2)C(=O)NC(CCC4=CC=CC=C4)C=CS(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1COCCN1C(=O)C2C3=CC=CC=C3CC(N2)C(=O)NC(CCC4=CC=CC=C4)/C=C/S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C32H35N3O5S/c36-31(29-23-25-11-7-8-14-28(25)30(34-29)32(37)35-18-20-40-21-19-35)33-26(16-15-24-9-3-1-4-10-24)17-22-41(38,39)27-12-5-2-6-13-27/h1-14,17,22,26,29-30,34H,15-16,18-21,23H2,(H,33,36)/b22-17+